[ViewVC] Diff of: group/trunk/OOPSE-2.0/src/openbabel/smilesformat.cpp

Comparing trunk/OOPSE-2.0/src/openbabel/smilesformat.cpp (file contents):
Revision 2445 by tim, Wed Nov 16 21:22:51 2005 UTC vs.
Revision 2518 by tim, Fri Dec 16 21:52:50 2005 UTC

#	Line 204 \| Line 204 \| *bool SMIFormat::WriteMolecule(OBBase pOb,OBConversion**
204		#endif
205		errorMsg << "SMILES Conversion failed: Molecule is too large to convert. Open Babel is currently limited to 1000 atoms." << endl;
206		errorMsg << " Molecule size: " << mol.NumAtoms() << " atoms " << endl;
207	<	obErrorLog.ThrowError(__FUNCTION__, errorMsg.str(), obWarning);
207	>	obErrorLog.ThrowError(__func__, errorMsg.str(), obWarning);
208		return(false);
209		}
210
#	Line 2049 \| Line 2049 \| *bool OBMol2Smi::GetSmilesElement(OBSmiNode node,char**
2049		case 7:
2050		if (atom->IsAromatic() && atom->GetHvyValence() == 2 && atom->GetImplicitValence() == 3)
2051		{
2052	<	bracketElement = !(normalValence = false);
2052	>	normalValence = false;
2053	>	bracketElement = !(normalValence);
2054		break;
2055		}
2056		else
#	Line 2461 \| Line 2462 \| *bool FIXFormat::WriteMolecule(OBBase pOb, OBConversio**
2462		#endif
2463		errorMsg << "SMILES Conversion failed: Molecule is too large to convert. Open Babel is currently limited to 1000 atoms." << endl;
2464		errorMsg << " Molecule size: " << mol.NumAtoms() << " atoms " << endl;
2465	<	obErrorLog.ThrowError(__FUNCTION__, errorMsg.str(), obInfo);
2465	>	obErrorLog.ThrowError(__func__, errorMsg.str(), obInfo);
2466		return(false);
2467		}
2468

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